2-(2-chlorophenyl)-6-ethoxypyrazine

• ChemBase ID: 797143
• Molecular Formular: C12H11ClN2O
• Molecular Mass: 234.68154
• Monoisotopic Mass: 234.05599066
• SMILES: c1c(nc(cn1)OCC)c1c(cccc1)Cl
• Canonical SMILES: CCOc1cncc(n1)c1ccccc1Cl
• InChI: InChI=1S/C12H11ClN2O/c1-2-16-12-8-14-7-11(15-12)9-5-3-4-6-10(9)13/h3-8H,2H2,1H3
• InChIKey: RUNCMSYOUQZVRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-6-ethoxypyrazine
• IUPAC Traditional name: 2-(2-chlorophenyl)-6-ethoxypyrazine
• Synonyms: 2-(2-Chlorophenyl)-6-ethoxypyrazine

Database IDs

• CAS Number: 1333222-35-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.968614
• LogD (pH = 7.4): 2.9686155
• Log P: 2.9686155
• Molar Refractivity: 62.8385 cm^3
• Polarizability: 25.729141 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%